ethyl 4-[2-(1-adamantylsulfanyl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(1-adamantylsulfanyl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(1-adamantylsulfanyl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-(1-adamantylthio)-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-adamantylsulfanyl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(1-adamantylthio)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC23CC4CC(C2)CC(C4)C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC23CC4CC(C2)CC(C4)C3)C)C

InChI

InChI=1S/C21H29NO3S/c1-4-25-20(24)19-13(3)22-12(2)18(19)17(23)11-26-21-8-14-5-15(9-21)7-16(6-14)10-21/h14-16,22H,4-11H2,1-3H3